4-(2-fluoroethylsulfanyl)naphthalen-1-ol

C12H11FOS — CID 112596139

IUPAC4-(2-fluoroethylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCCF)c2ccccc12
InChIInChI=1S/C12H11FOS/c13-7-8-15-12-6-5-11(14)9-3-1-2-4-10(9)12/h1-6,14H,7-8H2
InChIKeyXVMRVIALUCLSEO-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.61
Rot. Bonds3

About 4-(2-fluoroethylsulfanyl)naphthalen-1-ol

4-(2-fluoroethylsulfanyl)naphthalen-1-ol (PubChem CID 112596139) has the molecular formula C12H11FOS and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-(2-fluoroethylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2-fluoroethylsulfanyl)naphthalen-1-ol
PubChem CID112596139
Molecular FormulaC12H11FOS
Molecular Weight222.28 g/mol
Exact Mass222.05
IUPAC Name4-(2-fluoroethylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCCF)c2ccccc12
InChIInChI=1S/C12H11FOS/c13-7-8-15-12-6-5-11(14)9-3-1-2-4-10(9)12/h1-6,14H,7-8H2
InChIKeyXVMRVIALUCLSEO-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylsulfanyl)naphthalen-1-ol?
The IUPAC name of 4-(2-fluoroethylsulfanyl)naphthalen-1-ol (CID 112596139) is 4-(2-fluoroethylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 4-(2-fluoroethylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 4-(2-fluoroethylsulfanyl)naphthalen-1-ol is Oc1ccc(SCCF)c2ccccc12.
What is the InChIKey of 4-(2-fluoroethylsulfanyl)naphthalen-1-ol?
The InChIKey is XVMRVIALUCLSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FOS/c13-7-8-15-12-6-5-11(14)9-3-1-2-4-10(9)12/h1-6,14H,7-8H2.
What are the key properties of 4-(2-fluoroethylsulfanyl)naphthalen-1-ol?
4-(2-fluoroethylsulfanyl)naphthalen-1-ol has a molecular weight of 222.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 112596139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).